H-Ala-Trp-Ala-OH - ≥97% , CAS No.126310-63-2

CAS: 126310-63-2 Cat. No.: H1007524 Peso molecular: 346.400

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)O)N
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
• InChIKey: ZVWXMTTZJKBJCI-BHDSKKPTSA-N
• INCHI: 1S/C17H22N4O4/c1-9(18)15(22)21-14(16(23)20-10(2)17(24)25)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,8-10,14,19H,7,18H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t9-,10-,14-/m0/s1
• Peso molecular: 346.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: N-acyl-L-alpha-amino acids Tryptamines and derivatives Alpha amino acid amides Alanine and derivatives 3-alkylindoles Substituted pyrroles Fatty amides Benzenoids Quaternary ammonium salts Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha peptide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Triptan - Alanine or derivatives - N-substituted-alpha-amino acid - 3-alkylindole - Alpha-amino acid or derivatives - Indole or derivatives - Indole - Fatty amide - Benzenoid - Fatty acyl - Substituted pyrrole - Pyrrole - Quaternary ammonium salt - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Amino acid or derivatives - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organic zwitterion - Organic salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 346.400 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 346.164 Da
• Monoisotopic Mass: 346.164 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 513.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1